SMIRKS
[H][O:27][C:26]([C@@:24]1([O:25][H:62])[C@:10]([N:9]([C:8]2:[C:7]([H:43]):[C:6]([H:42]):[C:5]([H:41]):[C:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3]):[C:28]:2[H:67])[H:66])([H:44])[C@@:11]([N:12]([H:45])[H:46])([H:47])[C@:13]([C:14]([H:48])([H:49])[H:50])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:51])([H:52])[H:53])[C:20]([H:54])([H:55])[H:56])[H:57])[C@@:21]1([C:22]([H:58])([H:59])[H:60])[O:23][H:61])([H:64])[H:65].[C:29]([C:30]([C:31]([C:32](=[O:33])[S:34][C:35]([C:36]([N:37]([C:38]([C:39]([H:71])([H:72])[H:73])=[O:40])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])([H:84])[H:85]>>[C:1]([C:2](=[O:3])[C:4]1:[C:5]([H:41]):[C:6]([H:42]):[C:7]([H:43]):[C:8]([N:9]([C@@:10]2([H:44])[C@@:11]([N:12]([H:45])[H:46])([H:47])[C@:13]([C:14]([H:48])([H:49])[H:50])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:51])([H:52])[H:53])[C:20]([H:54])([H:55])[H:56])[H:57])[C@@:21]([C:22]([H:58])([H:59])[H:60])([O:23][H:61])[C@@:24]2([O:25][H:62])[C:26]([O:27][C:32]([C:31]([C:30]([C:29]([H:83])([H:84])[H:85])([H:81])[H:82])([H:79])[H:80])=[O:33])([H:64])[H:65])[H:66]):[C:28]:1[H:67])([H:68])([H:69])[H:70].[H][S:34][C:35]([C:36]([N:37]([C:38]([C:39]([H:71])([H:72])[H:73])=[O:40])[H:74])([H:75])[H:76])([H:77])[H:78]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 112731 | de-(6-methylsalicylyl)-7-deoxy-7-demethylpactamycin + S-(2-acetamidoethyl) butanethioate = [(1S,2R,3S,4S 5S)-5-(3-acetylanilino)-4-amino-3-[(dimethylcarbamoyl)amino]-1 2-dihydroxy-2,3-dimethylcyclopentyl]methyl butanoate + N-(2-sulfanylethyl)acetamide | False | Streptomyces pactum | nan | 2.3.1.180 |
Derived Partial Reactions
EVODEX.1-P1612
![[H][O:27][C:26]([C@@:24]1([O:25][H:62])[C@:10]([N:9]([C:8]2:[C:7]([H:43]):[C:6]([H:42]):[C:5]([H:41]):[C:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3]):[C:28]:2[H:67])[H:66])([H:44])[C@@:11]([N:12]([H:45])[H:46])([H:47])[C@:13]([C:14]([H:48])([H:49])[H:50])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:51])([H:52])[H:53])[C:20]([H:54])([H:55])[H:56])[H:57])[C@@:21]1([C:22]([H:58])([H:59])[H:60])[O:23][H:61])([H:64])[H:65]>>[H]C([H])([H])C([H])([H])C([H])([H])C(=O)[O:27][C:26]([C@@:24]1([O:25][H:62])[C@:10]([N:9]([C:8]2:[C:7]([H:43]):[C:6]([H:42]):[C:5]([H:41]):[C:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3]):[C:28]:2[H:67])[H:66])([H:44])[C@@:11]([N:12]([H:45])[H:46])([H:47])[C@:13]([C:14]([H:48])([H:49])[H:50])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:51])([H:52])[H:53])[C:20]([H:54])([H:55])[H:56])[H:57])[C@@:21]1([C:22]([H:58])([H:59])[H:60])[O:23][H:61])([H:64])[H:65]](../images/EVODEX.1-P1612.svg)
[H][O:27][C:26]([C@@:24]1([O:25][H:62])[C@:10]([N:9]([C:8]2:[C:7]([H:43]):[C:6]([H:42]):[C:5]([H:41]):[C:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3]):[C:28]:2[H:67])[H:66])([H:44])[C@@:11]([N:12]([H:45])[H:46])([H:47])[C@:13]([C:14]([H:48])([H:49])[H:50])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:51])([H:52])[H:53])[C:20]([H:54])([H:55])[H:56])[H:57])[C@@:21]1([C:22]([H:58])([H:59])[H:60])[O:23][H:61])([H:64])[H:65]>>[H]C([H])([H])C([H])([H])C([H])([H])C(=O)[O:27][C:26]([C@@:24]1([O:25][H:62])[C@:10]([N:9]([C:8]2:[C:7]([H:43]):[C:6]([H:42]):[C:5]([H:41]):[C:4]([C:2]([C:1]([H:68])([H:69])[H:70])=[O:3]):[C:28]:2[H:67])[H:66])([H:44])[C@@:11]([N:12]([H:45])[H:46])([H:47])[C@:13]([C:14]([H:48])([H:49])[H:50])([N:15]([C:16](=[O:17])[N:18]([C:19]([H:51])([H:52])[H:53])[C:20]([H:54])([H:55])[H:56])[H:57])[C@@:21]1([C:22]([H:58])([H:59])[H:60])[O:23][H:61])([H:64])[H:65]